1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone

C30H29NO3 — CID 18341262

IUPAC1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone
SMILESCC1(C)OC[C@H](Cc2ccccc2)N1C(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C30H29NO3/c1-30(2)31(26(21-33-30)19-22-9-5-3-6-10-22)29(32)20-27-17-18-28(34-27)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-18,26H,19-21H2,1-2H3/t26-/m0/s1
InChIKeyZMKPCAFWBBLXPL-SANMLTNESA-N
MW451.57 g/mol
LogP6.36
Rot. Bonds6

About 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone

1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone (PubChem CID 18341262) has the molecular formula C30H29NO3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone
PubChem CID18341262
Molecular FormulaC30H29NO3
Molecular Weight451.57 g/mol
Exact Mass451.21
IUPAC Name1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone
SMILESCC1(C)OC[C@H](Cc2ccccc2)N1C(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C30H29NO3/c1-30(2)31(26(21-33-30)19-22-9-5-3-6-10-22)29(32)20-27-17-18-28(34-27)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-18,26H,19-21H2,1-2H3/t26-/m0/s1
InChIKeyZMKPCAFWBBLXPL-SANMLTNESA-N
XLogP6.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone (CID 18341262) is 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone is CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone?
The InChIKey is ZMKPCAFWBBLXPL-SANMLTNESA-N. The full InChI is InChI=1S/C30H29NO3/c1-30(2)31(26(21-33-30)19-22-9-5-3-6-10-22)29(32)20-27-17-18-28(34-27)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-18,26H,19-21H2,1-2H3/t26-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone?
1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone has a molecular weight of 451.57 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone is sourced from PubChem (CID 18341262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).